(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenoxybutanamide

C21H26N2O5S — CID 26521362

IUPAC(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenoxybutanamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H26N2O5S/c1-3-19(28-18-7-5-4-6-8-18)21(24)22-17-10-9-16(2)20(15-17)29(25,26)23-11-13-27-14-12-23/h4-10,15,19H,3,11-14H2,1-2H3,(H,22,24)/t19-/m1/s1
InChIKeyBDXZVGWGFARZKD-LJQANCHMSA-N
MW418.52 g/mol
LogP2.81
Rot. Bonds7

About (2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenoxybutanamide

(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenoxybutanamide (PubChem CID 26521362) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is (2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenoxybutanamide.

Molecular Properties

Compound Name(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenoxybutanamide
PubChem CID26521362
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenoxybutanamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H26N2O5S/c1-3-19(28-18-7-5-4-6-8-18)21(24)22-17-10-9-16(2)20(15-17)29(25,26)23-11-13-27-14-12-23/h4-10,15,19H,3,11-14H2,1-2H3,(H,22,24)/t19-/m1/s1
InChIKeyBDXZVGWGFARZKD-LJQANCHMSA-N
XLogP2.81
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 4928494
(2S)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)propanamide
CID 7689037
2-ethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)hexanamide
CID 46549642
(3R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide
CID 7689032
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-phenoxypropanamide
CID 43009352
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylmethoxyacetamide
CID 55358424
2-(2-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 43876383
(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(propan-2-ylideneamino)oxyhexanamide
CID 97347639
(2S)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-phenoxypropanamide
CID 7917142
2-(4-cyanophenoxy)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 16545878
2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 9100328
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenoxybutanamide?
The IUPAC name of (2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenoxybutanamide (CID 26521362) is (2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenoxybutanamide.
What is the SMILES notation for (2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenoxybutanamide?
The canonical SMILES for (2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenoxybutanamide is CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of (2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenoxybutanamide?
The InChIKey is BDXZVGWGFARZKD-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-3-19(28-18-7-5-4-6-8-18)21(24)22-17-10-9-16(2)20(15-17)29(25,26)23-11-13-27-14-12-23/h4-10,15,19H,3,11-14H2,1-2H3,(H,22,24)/t19-/m1/s1.
What are the key properties of (2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenoxybutanamide?
(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenoxybutanamide has a molecular weight of 418.52 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenoxybutanamide is sourced from PubChem (CID 26521362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).